UCSF

ZINC44684118

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 6.43 -37.9 2 2 1 20 231.363 4
Hi High (pH 8-9.5) 2.57 5.44 -2.21 1 2 0 15 230.355 4
Mid Mid (pH 6-8) 2.57 7.84 -32.21 2 2 1 16 231.363 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )